Basic information
- Standard SMILES
COC(=O)C1=Cc2ccsc2S(=O)(=O)N1CCCCO- InChIKey
MLWWFKWTTGKHSO-UHFFFAOYSA-N- Molecular formula
- C12H15NO5S2
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.03916493
Names & identifiers
- Preferred name
- 2-(4-Hydroxybutyl)-2H-thieno[3,2-e]-1,2-thiazine-3-carboxylic Acid 1,1-dioxide Methyl Ester
- IUPAC
- methyl 2-(4-hydroxybutyl)-1,1-dioxothieno[3,2-e]thiazine-3-carboxylate
Names & synonyms
SCHEMBL8950271MLWWFKWTTGKHSO-UHFFFAOYSA-N2-(4-Hydroxybutyl)-2H-thieno[3,2-e]-1,2-thiazine-3-carboxylic Acid 1,1-dioxide Methyl Ester
Database identifiers
- PubChem CID
- 54079235
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 496
Related reactions
1 records
Compound notes
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